Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted Zeolites
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arXiv
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| Main Authors: | Petković, Marko, Luna, José-Manuel Vicent, Dinne, El\=ıza Beate, Menkovski, Vlado, Calero, Sofía |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
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